2-[4-[3-(3-acetyloxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]-3-chloranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-acetyloxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]-3-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3-(3-acetoxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[3-[3-acetyloxy-4-(1-oxopropyl)-2-propylphenoxy]propylthio]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-[3-(3-acetyloxy-4-propanoyl-2-propylphenoxy)propylsulfanyl]-3-chlorophenyl]acetic acid Traditional Name: 2-[4-[3-(3-acetoxy-4-propionyl-2-propyl-phenoxy)propylthio]-3-chloro-phenyl]acetic acid Formula: C25H29ClO6S MolecularWeight: 493.01216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)CC)OCCCSC2=C(C=C(C=C2)CC(=O)O)Cl

InChI

InChI=1S/C25H29ClO6S/c1-4-7-19-22(10-9-18(21(28)5-2)25(19)32-16(3)27)31-12-6-13-33-23-11-8-17(14-20(23)26)15-24(29)30/h8-11,14H,4-7,12-13,15H2,1-3H3,(H,29,30)